BioLiP

PDB

BioLiP

PDB CCD ID:

QME

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2

InChI:

InChI=1S/C13H16N2/c1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12/h1-2,5-6,9,12,14-15H,3-4,7-8H2/t12-/m1/s1

InChIKey:

BNKHEDZUOBHGMW-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc([nH]2)C3CCCCN3
CACTVS 3.385	C1CC[C@@H](NC1)c2[nH]c3ccccc3c2
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3
CACTVS 3.385	C1CC[CH](NC1)c2[nH]c3ccccc3c2

Name:

2-[(2~{R})-piperidin-2-yl]-1~{H}-indole

ZINC:

ZINC000001703729

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).